Products 514-53-4

CAS 514-53-4 is the registry number for Isochlortetracycline. Offered by: TRC, TargetMol, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 10mg, 25mg, 5mg, 1mg, 2mg, 5 mg, 1 mg.

Structural formula: {0} (CAS {1})

(4S,4aS,6S,8aR)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-1,8a-dihydroxy-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide (CAS 514-53-4) is a chemical compound with the molecular formula C22H23ClN2O8 and a molecular weight of 478.9 g/mol. IUPAC name: (4S,4aS,6S,8aR)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-1,8a-dihydroxy-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide. InChIKey: ZDCFZNSICAQKSV-AXVXPIMKSA-N.

Identity
Molecular formulaC22H23ClN2O8
Molecular weight478.9 g/mol
IUPAC name(4S,4aS,6S,8aR)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-1,8a-dihydroxy-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide
InChIKeyZDCFZNSICAQKSV-AXVXPIMKSA-N
SMILESC[C@@]1(C2=C(C=CC(=C2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3)O)O)C(=O)N)N(C)C

Computed by PubChem (NCBI)